[Pd(κ²-pyrrolidine dithiocarbamate)₂] | 41060-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: [Pd(κ²-pyrrolidine dithiocarbamate)₂]
• 英文别名: [Pd(κ²-PyDT)₂]；[Pd(pyrrolidine-N-dithiocarbamate)]；[Pd(1-pyrrolidinecarbodithioato)2]；[Pd(pyrrolidine dithiocarbamate)2]；[Pd(PyDT)2]
• CAS: 41060-78-0
• 化学式: C₁₀H₁₆N₂PdS₄
• 分子量: 398.934
• InChiKey: OYMOLCYTRNPTOJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.83
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  AMMONIUM TETRATHIOTUNGSTATE 、 [Pd(κ²-pyrrolidine dithiocarbamate)₂] 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Long, De-Liang; Wong, Wing-Tak; Shi, Shu, Journal of the Chemical Society, Dalton Transactions, 1997, # 22, p. 4361 - 4365

  摘要：

  DOI：
• 作为产物：
  描述：

  [PdCl(1-pyrrolidinecarbodithioato)(1-pyrrolidinecarbodithioate methyl ester)] 以 solid 为溶剂， 生成 [Pd(κ²-pyrrolidine dithiocarbamate)₂]
  参考文献：
  名称：

  Pyrrolidine dithiocarbamates of Pd(II)

  摘要：

  The dithioester (CH2)(4)NCS2CH3 (PyDTM, 1-pyrrolidinecarbodithioate methyl ester) has been prepared by reaction of the parent ammonium salt NH4PyDT (PyDT = (CH2)(4)NCS2-) with methyl iodide in water/ethanol. The reaction of PyDTM with PdCl2 allowed to synthesize either [PdCl2(PyDTM)], in which the ligand is chelated by both sulfur atoms, or [PdCl2(PyDTM)(2)], in which the ligand acts as monodentate through the thiocarbonyl sulfur. Thermal degradation of [PdCl2(PyDTM)] yielded the [PdCl(PyDT)](n) species as an intermediate, which, in the presence of donors as chloride ions or dimethyl sulfoxide (DMSO), gave the complexes [PdCl(PyDT)(DMSO)] and NR4[PdCl2(PyDT)]. Moreover, PyDTM was found to react with various [PdCl(dithiocarbamato)], intermediates to form the mixed species [PdCl(dithiocarbamato)(PyDTM)], whose thermal degradation yielded the [Pd(dithiocarbamato)(PyDT)] complexes. The behaviour of the prepared compounds in either solution or solid phase has been described on the basis of IR and proton NMR spectra and thermogravimetric analysis (TG and DTA). (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.063

文献信息

• Cytotoxicity, anti‐microbial studies of M( <scp>II</scp> )‐dithiocarbamate complexes, and molecular docking study against <scp>SARS COV2 RNA</scp> ‐dependent <scp>RNA</scp> polymerase
  作者：Ahmed S. M. Al‐Janabi、Abdulrahman M. Saleh、Mohammad R. Hatshan

  DOI：10.1002/jccs.202000504

  日期：——

  typhimurium bacteria. The cytotoxicity of the Pd(II) and Pt(II) complexes was screened against the MCF-7 breast cancer cell line and the complexes showed moderate activity compared with the cis-platin. The results indicated that the MCF7 cells treated with 500 μg\ml of ligands and Pd(II) and Pt(II) complexes after 24 hr exposure showed intercellular space and dead cells. Finally, molecular docking studies were

  十种类型为 [M( κ 2 -Et 2 DT) 2 ] ( 1–5 ) 和 [M( κ 2 -PyDT) 2 ] ( 6–10 ) 的过渡金属二硫代氨基甲酸盐 (DTC) 配合物（其中 M = Co 、Ni、Cu、Pd 和 Pt；Et 2 DT = 二乙基二硫代氨基甲酸酯；PyDT = 吡咯烷二硫代氨基甲酸酯）通过不同的方法进行合成和表征。二硫代氨基甲酸盐充当双齿螯合配体，与Co(II)离子形成四面体络合物，并与其他过渡金属离子形成方形平面络合物。二硫代氨基甲酸盐复合物对病原体细菌表现出良好的活性。结果表明，Pt-二硫代氨基甲酸盐复合物对所有测试细菌的活性均高于 Pd-二硫代氨基甲酸盐复合物。二硫代氨基甲酸盐复合物对大肠杆菌表现出最大的抑制区，而二硫代氨基甲酸盐对鼠伤寒沙门氏菌的活性最低。Pd(II) 和 Pt(II) 复合物针对 MCF-7 乳腺癌细胞系的细胞毒性进行了筛选，与顺铂相比，
• Spectrophotometric Determination of Palladium(II) by Extraction of Its 1-Pyrrolidinecarbodithioate into Molten Naphthalene
  作者：Avadesh Kumar、M. F. Hussain、Masatada Satake、B. K. Puri

  DOI：10.1246/bcsj.55.3455

  日期：1982.11

  A new spectrophotometric method for the determination of palladium after extraction of its 1-pyrrolidinecarbodithioate into molten naphthalene has been developed. Palladium forms a water-insoluble, thermally stable 1:2 complex with 1-pyrrolidinecarbodithioate which is easily extracted into molten naphthalene in the pH range of 3.0–6.0. At room temperature, solid naphthalene containing the metal-complex

  开发了一种新的分光光度法，用于将钯的 1-吡咯烷碳二硫代酸酯萃取到熔融萘中后测定钯。钯与 1-吡咯烷碳二硫代酸形成不溶于水、热稳定的 1:2 络合物，在 pH 值范围为 3.0-6.0 时，它很容易萃取到熔融的萘中。在室温下，将含有金属络合物的固体萘溶解在氯仿（10 毫升）中。它在 336-342 nm 范围内具有最大吸收。比尔定律适用于 10 毫升氯仿溶液中 2.5-90.0 微克钯的浓度范围。发现摩尔吸收率（1 mol-1 cm-1）和灵敏度（μg/cm2）分别为 6.4×103 和 0.0166。含有 30 μg 钯的样品的平均吸光度为 0.18，标准偏差为 0.0025。其他因素，如试剂和萘的量、pH、水相体积和不同的离子已经过检查。该方法已应用于一些合金的分析。
• Emitting-state properties of square-planar dithiocarbamate complexes of palladium(II) and platinum(II) probed by pressure-dependent luminescence spectroscopy
  作者：Caroline Genre、Geneviève Levasseur-Thériault、Christian Reber

  DOI：10.1139/v09-132

  日期：2009.11

  Temperature- and pressure-dependent Raman and luminescence spectra of four crystalline complexes of palladium(II) and platinum(II) with chelating diethyldithiocarbamate (EDTC) and pyrrolidine-N-dithiocarbamate (PDTC) ligands are reported. The crystal structure of [Pd(PDTC)₂] was resolved at 120 K. Luminescence band maxima are observed at approximately 14 500 cm^–1and 16 000 cm^–1for the palladium(II) and platinum(II) complexes, respectively. Pressure leads to blue shifts of the band maxima by +9 and +13 cm^–1/kbar for [Pd(EDTC)₂] and [Pd(PDTC)₂], and +15 cm^–1/kbar for [Pt(EDTC)₂]. These spin-forbidden d–d luminescence transitions have lifetimes of approximately 600 µs at temperatures below 20 K. Luminescence intensities at room temperature are low, but they increase significantly with external pressure. The experimental results show that strong increases of luminescence intensities caused by pressure are not limited to complexes with monodentate ligands, a result providing insight on the coordinates with emitting-state distortions responsible for this effect.

  报告了钯(II)和铂(II)与螯合二乙基二硫代氨基甲酸乙酯(EDTC)和吡咯烷-N-二硫代氨基甲酸乙酯(PDTC)配体的四种晶体配合物的温度和压力依赖性拉曼光谱和发光光谱。钯（II）和铂（II）配合物的发光带最大值分别约为 14 500 cm-1 和 16 000 cm-1。压力导致[Pd(EDTC)2]和[Pd(PDTC)2]的发光带最大值发生了+9 和 +13 cm-1/kbar 的蓝移，[Pt(EDTC)2]的发光带最大值发生了+15 cm-1/kbar 的蓝移。这些自旋禁止的 d-d 发光转变在温度低于 20 K 时的寿命约为 600 µs。实验结果表明，由压力引起的发光强度的强烈增加并不局限于具有单齿配体的配合物，这一结果为我们了解造成这种效应的发射态畸变坐标提供了启示。
• Synthesis, characterization and cytotoxic activity of palladium (II) dithiocarbamate complexes with α,ω-diamines
  作者：Diego Montagner、Cristina Marzano、Valentina Gandin

  DOI：10.1016/j.ica.2011.07.031

  日期：2011.10

  The polymeric [PdCl(dithiocarbamate)](n) complexes, in which the ligand ion is dimethyldithiocarbamate (DMDT), pyrrolidine dithiocarbamate (PyDT, (CH2)(4)NCS2-) and sarcosine ethyl ester dithiocarbamate (ESDT, EtO2CCH2N(CH3)CS2-), have been reacted with chelating diamines, like ethylenediamine (en) or 1,3-diaminopropane (dap) and long chain diamines, like 1,4-diaminobutane (dab) or 1,7-diaminoheptane (dah). The reaction products depend on either diamine chain length or molar ratio. By operating at PdCl(dithiocarbamate)/diamine molar ratio 1:1 chelating diamines yielded the ionic [Pd(dithiocarbamate)(diamine)]Cl species (diamine = en or dap), whereas with long chain diamines species of the type [Pd(dithiocarbamate)(diamine)](n)Cl-n (diamine = dab or dah) were obtained, in which each Pd(dithiocarbamate)(+) unit binds to the NH2 group of two different molecules, in a network of bridging diamines. At molar ratio 1:0.5, the long chain diamines yielded the binuclear [Pd2Cl2(dithiocarbamate)(2)(diamine)] complexes (diamine = dab or dah), whereas exchange reactions take place generally in the presence of en or dap. The reaction trend is described on the basis of IR and proton NMR spectra. The new dithiocarbamate complexes were preliminarily tested for their cytotoxicity on human cancer cells. (C) 2011 Elsevier B.V. All rights reserved.